Observatorio de I+D+i UPM

Memorias de investigación
Communications at congresses:
Transition State Theory in the molecular system LiNC/LiCN perturbed by a laser pulse
Year:2014
Research Areas
  • Physics chemical and mathematical
Information
Abstract
In this talk we show the dynamical results obtained for the isomerization reaction LiNC/LiCN isolated and in the presence of a laser pulse. This study is based in the geometrical Transition State Theory (TST).We have develop an efficient and fast method for computing the normal forms that allows us to define the geometrical objects that lead the dynamics close to the characteristic solution (a fixed point in the isolated system, a periodic orbit when the system has been perturbed by a laser pulse). Once we have obtained these objects we have been able to compute reactive fluxes for pulses with di?erent parameters. It has been proved that amplitude is the most influential parameter on the reaction dynamics and that increasing amplitude leads to greater fluxes and even to reactive fluxes at energies lowers than the ones in the isolated system.
International
Si
Congress
The 10th AIMS Conference on Dynamical Systems, Differential Equations and Applications [http://www.aimsciences.org/conferences/2014/]
960
Place
Madrid
Reviewers
Si
ISBN/ISSN
0000-0000
Start Date
07/07/2014
End Date
11/07/2014
From page
438
To page
438
The 10th AIMS Conference on Dynamical Systems Differential Equations and Applications - ABSTRACTS [http://www.aimsciences.org/conferences/2014/abstracts-book-finalized-2014-06-10.pdf]
Participants
  • Autor: María del Henar Hernández Mendiola (UPM)
  • Autor: Juan Carlos Losada Gonzalez (UPM)
  • Autor: Rosa Maria Benito Zafrilla (UPM)
  • Autor: Ángel Jorba (Universidad de Barcelona)
  • Autor: Florentino Borondo (Universidad Autónoma de Madrid)
Research Group, Departaments and Institutes related
  • Creador: Grupo de Investigación: Grupo de Sistemas Complejos
  • Departamento: Ingeniería Agroforestal
S2i 2019 Observatorio de investigación @ UPM con la colaboración del Consejo Social UPM
Cofinanciación del MINECO en el marco del Programa INNCIDE 2011 (OTR-2011-0236)
Cofinanciación del MINECO en el marco del Programa INNPACTO (IPT-020000-2010-22)